Information card for entry 4309811

Structure parameters

• Formula: C27 H15 F7 Ir N7
• Calculated formula: C27 H15 F7 Ir N7
• SMILES: [Ir]123([n]4n(c5c2cc(cc5F)F)ccc4)([n]2n(c4c3cc(cc4F)F)ccc2)[n]2ccccc2c2n1nc(c2)C(F)(F)F
• Title of publication: Heteroleptic Cyclometalated Iridium(III) Complexes Displaying Blue Phosphorescence in Solution and Solid State at Room Temperature
• Authors of publication: Cheng-Han Yang; Shih-Wen Li; Yun Chi; Yi-Ming Cheng; Yu-Shan Yeh; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hsiang Wang; Ching-Fong Shu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7770 - 7780
• a: 10.3424 ± 0.0004 Å
• b: 12.9104 ± 0.0005 Å
• c: 19.8601 ± 0.0007 Å
• α: 90°
• β: 104.316 ± 0.0009°
• γ: 90°
• Cell volume: 2569.46 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No